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  1. Third-Parties
  2. MatprojStructure
  3. mp-775195

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-775195
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 5
  • Element list: ['Li', 'Mn', 'Fe', 'P', 'O']
  • Chemical System: Fe-Li-Mn-O-P
  • Density: 3.3445084731652064
  • Atomic Density: 0.08984344066095623
  • Unit Cell Volume: 934.9597408784941
  • Molar Volume: 6.702927576789783
  • Full Formula: Li12 Mn11 Fe1 P12 O48
  • Reduced Formula: Li12Mn11Fe(PO4)12
  • Formula Anonymous: AB11C12D12E48
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -654.89217035
  • Final energy per atom: -7.796335361309524
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.